BDBM10255 2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide::Isoquinoline-1,3,4-trione 6b::N-(1,2,3,4-Tetrahydro-1,3,4-trioxoisoquinolin-5-yl)-2-methoxybenzamide
SMILES: COc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
InChI Key: InChIKey=HGOIASUTUJYIAQ-UHFFFAOYSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-3 (Homo sapiens (Human)) | BDBM10255 (2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoqui...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 96 | n/a | n/a | n/a | n/a | 7.5 | 35 |
Shanghai Institutes for Biological Sciences | Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I... | J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB | |||||||||||
More data for this Ligand-Target Pair |